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	hartrees
Energy at 0K	-1189.370315
Energy at 298.15K	-1189.373535
HF Energy	-1188.831775
Nuclear repulsion energy	365.463435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3212	1.14
2	A	1447	1447	3.57
3	A	1314	1314	21.88
4	A	1156	1156	128.79
5	A	1069	1069	38.02
6	A	761	761	57.11
7	A	400	400	3.84
8	A	280	280	0.98
9	A	154	154	1.56
10	A	76	76	1.07
11	B	3225	3225	2.83
12	B	1375	1375	2.36
13	B	1257	1257	34.93
14	B	1124	1124	4.49
15	B	747	747	99.81
16	B	398	398	17.96
17	B	349	349	14.80
18	B	315	315	11.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.723	0.445
C2	0.236	-0.723	0.445
H3	-1.315	0.811	0.362
H4	1.315	-0.811	0.362
F5	0.236	1.323	1.611
F6	-0.236	-1.323	1.611
Cl7	0.514	1.632	-1.031
Cl8	-0.514	-1.632	-1.031

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5218	1.0860	2.1835	1.3940	2.3554	1.8891	2.7937
C2	1.5218		2.1835	1.0860	2.3554	1.3940	2.7937	1.8891
H3	1.0860	2.1835		3.0904	2.0570	2.6980	2.4421	2.9241
H4	2.1835	1.0860	3.0904		2.6980	2.0570	2.9241	2.4421
F5	1.3940	2.3554	2.0570	2.6980		2.6878	2.6754	4.0349
F6	2.3554	1.3940	2.6980	2.0570	2.6878		4.0349	2.6754
Cl7	1.8891	2.7937	2.4421	2.9241	2.6754	4.0349		3.4223
Cl8	2.7937	1.8891	2.9241	2.4421	4.0349	2.6754	3.4223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.642	C1	C2	F6	107.684
C1	C2	Cl8	109.509	C2	C1	H3	112.642
C2	C1	F5	107.684	C2	C1	Cl7	109.509
H3	C1	F5	111.478	H3	C1	Cl7	107.234
H4	C2	F6	111.478	H4	C2	Cl8	107.234
F5	C1	Cl7	108.206	F6	C2	Cl8	108.206

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: MP3=FULL/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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